N-[6-[2-[bis(4-fluorophenyl)methyl-ethylamino]ethyl-methylamino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C34H37F5N6O2 — CID 91360280

About N-[6-[2-[bis(4-fluorophenyl)methyl-ethylamino]ethyl-methylamino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[6-[2-[bis(4-fluorophenyl)methyl-ethylamino]ethyl-methylamino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 91360280) has the molecular formula C34H37F5N6O2 and a molecular weight of 656.70 g/mol. Its IUPAC name is N-[6-[2-[bis(4-fluorophenyl)methyl-ethylamino]ethyl-methylamino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[2-[bis(4-fluorophenyl)methyl-ethylamino]ethyl-methylamino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• PubChem CID: 91360280
• Molecular Formula: C34H37F5N6O2
• Molecular Weight: 656.70 g/mol
• Exact Mass: 656.29
• IUPAC Name: N-[6-[2-[bis(4-fluorophenyl)methyl-ethylamino]ethyl-methylamino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• SMILES: CCN(CCN(C)c1ccc(NC(=O)c2oc(N3CCCC(C)C3)nc2C(F)(F)F)cn1)C(c1ccc(F)cc1)c1ccc(F)cc1
• InChI: InChI=1S/C34H37F5N6O2/c1-4-44(29(23-7-11-25(35)12-8-23)24-9-13-26(36)14-10-24)19-18-43(3)28-16-15-27(20-40-28)41-32(46)30-31(34(37,38)39)42-33(47-30)45-17-5-6-22(2)21-45/h7-16,20,22,29H,4-6,17-19,21H2,1-3H3,(H,41,46)
• InChIKey: ZPDNGMWCXYWIMY-UHFFFAOYSA-N
• XLogP: 7.40
• TPSA: 77.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.70
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[bis(4-fluorophenyl)methyl-ethylamino]ethyl-methylamino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The IUPAC name of N-[6-[2-[bis(4-fluorophenyl)methyl-ethylamino]ethyl-methylamino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 91360280) is N-[6-[2-[bis(4-fluorophenyl)methyl-ethylamino]ethyl-methylamino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-[6-[2-[bis(4-fluorophenyl)methyl-ethylamino]ethyl-methylamino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[6-[2-[bis(4-fluorophenyl)methyl-ethylamino]ethyl-methylamino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CCN(CCN(C)c1ccc(NC(=O)c2oc(N3CCCC(C)C3)nc2C(F)(F)F)cn1)C(c1ccc(F)cc1)c1ccc(F)cc1.

What is the InChIKey of N-[6-[2-[bis(4-fluorophenyl)methyl-ethylamino]ethyl-methylamino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The InChIKey is ZPDNGMWCXYWIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37F5N6O2/c1-4-44(29(23-7-11-25(35)12-8-23)24-9-13-26(36)14-10-24)19-18-43(3)28-16-15-27(20-40-28)41-32(46)30-31(34(37,38)39)42-33(47-30)45-17-5-6-22(2)21-45/h7-16,20,22,29H,4-6,17-19,21H2,1-3H3,(H,41,46).

What are the key properties of N-[6-[2-[bis(4-fluorophenyl)methyl-ethylamino]ethyl-methylamino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

N-[6-[2-[bis(4-fluorophenyl)methyl-ethylamino]ethyl-methylamino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 656.70 g/mol, XLogP of 7.40, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-[bis(4-fluorophenyl)methyl-ethylamino]ethyl-methylamino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 91360280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).